(Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate
TL;DR: (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate (CAS 688016-75-3) is a chemical compound with molecular formula C23H18FN3O5S and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate, methyl {3-[(Z)-(3-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-indol-1-yl}acetate, methyl 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
| Molecular Formula | C23H18FN3O5S |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 3.6284 |
| Topological Polar Surface Area | 97.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.09512 |
| Heavy Atoms | 33 |
| Complexity | 1316.4241 |
Chemical Identifiers
| CAS Number | 688016-75-3 |
|---|---|
| SMILES | COC(=O)CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4F |
Product Overview
(Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate (CAS 688016-75-3), with molecular formula C23H18FN3O5S and molecular weight 467.10 g/mol. IUPAC: methyl 2-[3-[(Z)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate
Property Insights of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate
The XLogP value of 3.6284 indicates that (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate?
The CAS number of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate is 688016-75-3.
What is the molecular formula of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate?
The molecular formula of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate is C23H18FN3O5S.
What is the molecular weight of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate?
The molecular weight of (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate is 467.10 g/mol.
Where can I buy (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate?
You can request a quote for (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(3-((3-(2-((2-fluorophenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.